Reaction Details Report a problem with these data
Target
Anionic trypsin
Ligand
BDBM50060047
Substrate
n/a
Meas. Tech.
ChEMBL_212519 (CHEMBL817584)
Ki
27±n/a nM
Citation
 Stürzebecher, J; Prasa, D; Hauptmann, J; Vieweg, H; Wikström, P Synthesis and structure-activity relationships of potent thrombin inhibitors: piperazides of 3-amidinophenylalanine. J Med Chem 40:3091-9 (1997) [PubMed]  Article 
Target
Name:
Anionic trypsin
Synonyms:
Anionic trypsin | TRY2_BOVIN | Trypsin II
Type:
PROTEIN
Mol. Mass.:
26281.39
Organism:
Bos taurus
Description:
ChEMBL_212177
Residue:
247
Sequence:
MHPLLILAFVGAAVAFPSDDDDKIVGGYTCAENSVPYQVSLNAGYHFCGGSLINDQWVVSAAHCYQYHIQVRLGEYNIDVLEGGEQFIDASKIIRHPKYSSWTLDNDILLIKLSTPAVINARVSTLLLPSACASAGTECLISGWGNTLSSGVNYPDLLQCLVAPLLSHADCEASYPGQITNNMICAGFLEGGKDSCQGDSGGPVACNGQLQGIVSWGYGCAQKGKPGVYTKVCNYVDWIQETIAANS
  
Inhibitor
Name:
BDBM50060047
Synonyms:
3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phenyl-piperazin-1-yl)-propyl]-benzamidine | CHEMBL104970
Type:
Small organic molecule
Emp. Form.:
C30H31N5O3S
Mol. Mass.:
541.664
SMILES:
NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: